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2017
Alagador, D., and J. O. Cerdeira. "Meeting species persistence targets under climate change: A spatially explicit conservation planning model." Diversity and Distributions. 23 (2017): 703-713. Abstract
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Fernandes, Susete N., Pedro L. Almeida, Nuno Monge, Luis E. Aguirre, Dennys Reis, Cristiano LP de Oliveira, António MF Neto, Pawel Pieranski, and Maria H. Godinho. "Mind the Microgap in Iridescent Cellulose Nanocrystal Films." Advanced Materials. 29.2 (2017). Abstract
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Pessanha, S., M. Alves, J. M. Sampaio, J. P. Santos, M. L. Carvalho, and M. Guerra. "A novel portable energy dispersive X-ray fluorescence spectrometer with triaxial geometry." J. Inst.. 12 (2017): P01014. Abstract
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Amaral, P. "O admirável Mundo Novo do Big Data." Gazeta de Matemática. 182 (2017). Abstract
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Proceedings of the Symposium on Applied Computing, {SAC} 2017, Marrakech, Morocco, April 3-7, 2017. Eds. Ahmed Seffah, Birgit Penzenstadler, Carina Alves, and Xin Peng. {ACM}, 2017. Abstract
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Amarante dos Santos, F. "Shape-memory alloys as macrostrain sensors." Structural Control and Health Monitoring. 24 (2017). AbstractWebsite
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Araújo, João, and Peter J. Cameron. "Special issue on computational algebra." Port. Math.. 74 (2017): 171-172. AbstractWebsite
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Vicente, António T., Pawel J. Wojcik, Manuel J. Mendes, Hugo Águas, Elvira Fortunato, and Rodrigo Martins. "A statistics modeling approach for the optimization of thin film photovoltaic devices." Solar Energy. 144 (2017): 232-243. Abstract
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Lakhdar, Allagui, Joao P. Borges, Abdesslam Ben Haj Amara, and Amel Dakhlaoui-Omrani. "Template-free synthesis of sub-micrometric cobalt fibers with controlled shape and structure. Characterization and magnetic properties." Journal of Magnetism and Magnetic Materials. 425 (2017): 6-11. Abstract
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Trindade, Ana Catarina, Rita Craveiro, Ana PC Almeida, João P. Canejo, Alexandre Paiva, Susana Barreiros, and Helena M. Godinho. "Tuning surface wrinkles of Janus spheres in supercritical carbon dioxide." The Journal of Supercritical Fluids. 120 (2017): 125-131. Abstract
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Ripple, W. J., C. Wolf, T. M. Newsome, M. Galetti, M. Alamgir, E. Crist, M. I. Mahmoud, W. F. Laurance, and +15364 signatoriesscientist. "World Scientists’ Warning to Humanity: A Second Notice." BioScience. 125 (2017). Abstract
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Pimentel, A., A. Araújo, B. J. Coelho, D. Nunes, M. J. Oliveira, MJ Mendes, H. Águas, R. Martins, and E. Fortunato. "{3D ZnO/Ag surface-enhanced Raman scattering on disposable and flexible cardboard platforms}." Materials. 10 (2017). Abstract

© 2017 by the authors. In the present study, zinc oxide (ZnO) nanorods (NRs) with a hexagonal structure have been synthesized via a hydrothermal method assisted by microwave radiation, using specialized cardboard materials as substrates. Cardboard-type substrates are cost-efficient and robust paper-based platforms that can be integrated into several opto-electronic applications for medical diagnostics, analysis and/or quality control devices. This class of substrates also enables highly-sensitive Raman molecular detection, amiable to several different operational environments and target surfaces. The structural characterization of the ZnO NR arrays has been carried out by X-ray diffraction (XRD), scanning electron microscopy (SEM) and optical measurements. The effects of the synthesis time (5-30 min) and temperature (70-130 °C) of the ZnO NR arrays decorated with silver nanoparticles (AgNPs) have been investigated in view of their application for surface-enhanced Raman scattering (SERS) molecular detection. The size and density of the ZnO NRs, as well as those of the AgNPs, are shown to play a central role in the final SERS response. A Raman enhancement factor of 7 × 105was obtained using rhodamine 6 G (RG6) as the test analyte; a ZnO NR array was produced for only 5 min at 70 °C. This condition presents higher ZnO NR and AgNP densities, thereby increasing the total number of plasmonic "hot-spots", their volume coverage and the number of analyte molecules that are subject to enhanced sensing.

Vicente, A. T., PJ Wojcik, MJ Mendes, H. Águas, E. Fortunato, and R. Martins. "{A statistics modeling approach for the optimization of thin film photovoltaic devices}." Solar Energy. 144 (2017). Abstract

© 2017 The growing interest in exploring thin film technologies to produce low cost devices such as n-i-p silicon solar cells, with outstanding performances and capability to address the highly relevant energy market, turns the optimization of their fabrication process a key area of development. The usual one-dimensional analysis of the involved parameters makes it difficult and time consuming to find the optimal set of conditions. To overcome these difficulties, the combination of experimental design and statistical analysis provides the tools to explore in a multidimensional fashion the interactions between fabrication parameters and expected experimental outputs. Design of Experiment and Multivariate Analysis are demonstrated here for the optimization of: (1) the low temperature deposition (150 °C) of high quality intrinsic amorphous silicon (i-a-Si:H); and (2) the matching of the n-, i-, and p-silicon layers thickness to maximize the efficiency of thin film solar cells. The multiple regression method applied, validated through analysis of variance and evaluated against exact numerical simulations, is shown to predict the overall intrinsic layer properties and the devices performance. The results confirm that experimental design and statistical data analysis are effective approaches to improve, within a minimum time frame and high certainty, the properties of silicon thin films, and subsequently the layer structure of solar cells.

Sanchez-Sobrado, Olalla, Manuel J. Mendes, Sirazul Haque, Tiago Mateus, Andreia Araujo, Hugo Aguas, Elvira Fortunato, and Rodrigo Martins. "{Colloidal-lithographed TiO2 photonic nanostructures for solar cell light trapping}." J. Mater. Chem. C (2017). Abstract
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Araújo, A., A. Pimentel, M. J. Oliveira, MJ Mendes, R. Franco, E. Fortunato, H. Águas, and R. Martins. "{Direct growth of plasmonic nanorod forests on paper substrates for low-cost flexible 3D SERS platforms}." Flexible and Printed Electronics. 2 (2017). Abstract

Paper substrates, coated with ZnO nanorods (NRs) decorated with Ag nanoparticles (NPs), allowed the production of inexpensive, highly-performing and extremely reproducible three-dimensional (3D) SERS platforms. The ZnO NRs were synthesized by a simple, fast and low-temperature hydrothermal method assisted by microwave radiation and made SERS-active by decorating them with a dense array of silver nanoparticles deposited via a single-step thermal evaporation technique. Using Rhodamine 6G (R6G) as a probe molecule, with an amount down to 10-9 M, the SERS substrates allowed a Raman signal enhancement of 107. The contribution of the inter-Ag-NPs gaps for 3D geometry, ZnO NRs orientation and the large sensing area allowed by theNRscaffolds, were determinant factors for the significant Raman enhancement observed. The results demonstrate that plasmonic nanorod forests, covered with Ag NPs, are efficient SERS substrates with the advantages of being recyclable, flexible, lightweight, portable, biocompatible and extremely low-cost.

Barros, A. A., C. Oliveira, A. J. Ribeiro, R. Autorino, R. L. Reis, A. R. C. Duarte, and E. Lima. "{In vivo assessment of a novel biodegradable ureteral stent}." World Journal of Urology (2017). Abstract

© 2017 Springer-Verlag GmbH Germany, part of Springer Nature Purpose: To perform an in vivo assessment of a newly developed biodegradable ureteral stent (BUS) produced with natural-based polymers. Methods: The BUS is based on a patented technology combining the injection process with the use of supercritical fluid technology. Study was conducted at ICVS—University of Minho (Braga, Portugal) and a total of ten domestic pigs were used. In seven animals, the experimental BUS stent was inserted, whereas in the remaining a commercially available stent was used (6-Fr Biosoft ® duo stents, Porges Coloplast, Denmark). Post-stenting intravenous pyelogram was used to evaluate the degree of hydronephrosis. The in vivo stent degradation was measured as function of the weight loss. Moreover, the tensile properties of the BUS were tested during in vivo degradation. After maximum 10 days, animals were killed and necropsy was performed. Tissues were compared between the stented groups as well as between the non-stented contralateral ureters and stented ureters in each group. Biocompatibility was assessed by histopathological grading. Results: In all cases, the BUS was only visible during the first 24 h on X-ray, and in all cases the BUS was completely degraded in urine after 10 days, as confirmed on necropsy. During the degradation process, the mechanical properties of the BUS decreased, while the commercial ureteral stents remained constant. At all time-points after stent insertion, the level of hydronephrosis was minimal. Overall, animals stented with BUS had an average grade of hydronephrosis which was lower compared to the controls. The BUS showed better pathological conditions, and hence better biocompatibility when compared with commercial stents. Conclusions: Notwithstanding the limitations of the present study, the in vivo testing of our novel natural origin polymer-based BUS suggests this device to feature homogeneous degradation, good urine drainage, and high biocompatibility. Next steps will be to increase its stability, and to improve the radiopacity without compromising its degradation. Ultimately, clinical studies will be required to determine the safety and feasibility of its use in humans.

Pohl, Randolf, Fran{\c c}ois Nez, Luis M. P. Fernandes, Marwan Abdou Ahmed, Fernando D. Amaro, Pedro Amaro, Fran{\c c}ois Biraben, João M. R. Cardoso, Daniel S. Covita, Andreas Dax, Satish Dhawan, Marc Diepold, Beatrice Franke, Sandrine Galtier, Adolf Giesen, Andrea L. Gouvea, Johannes Götzfried, Thomas Graf, Theodor W. Hänsch, Malte Hildebrandt, Paul Indelicato, Lucile Julien, Klaus Kirch, Andreas Knecht, Paul Knowles, Franz Kottmann, Julian J. Krauth, Eric-Olivier Le Bigot, Yi-Wei Liu, José A. M. Lopes, Livia Ludhova, Jorge Machado, Cristina M. B. Monteiro, Fran{\c c}oise Mulhauser, Tobias Nebel, Paul Rabinowitz, Joaquim M. F. dos Santos, José Paulo Santos, Lukas A. Schaller, Karsten Schuhmann, Catherine Schwob, Csilla I. Szabo, David Taqqu, João F. C. A. Veloso, Andreas Voss, Birgit Weichelt, and Aldo Antognini. "{Laser Spectroscopy of Muonic Atoms and Ions}." Proceedings of the 12th International Conference on Low Energy Antiproton Physics (LEAP2016). Journal of the Physical Society of Japan, 2017. Abstract
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Marouf, S., A. Beniaiche, K. Kardarian, MJ Mendes, O. Sanchez-Sobrado, H. Águas, E. Fortunato, and R. Martins. "{Low-temperature spray-coating of high-performing ZnO:Al films for transparent electronics}." Journal of Analytical and Applied Pyrolysis. 127 (2017). Abstract

© 2017 Elsevier B.V. Ultrasonic spray pyrolysis deposition of ZnO-based materials offers an attractive high-throughput low-cost route towards industrial production of high-quality transparent conductive oxide (TCO) thin-films. In this work, undoped and aluminium-doped ZnO films have been grown employing ultrasonic spray pyrolysis at relatively low-temperate (300 °C), followed by a post-annealing treatment. The role of Al concentration in the starting solution, as well as the rapid thermal annealing (RTA) atmosphere, were investigated and correlated to the morphological, structural, electrical and optical properties of the films. The remarkable enhancement of electrical conductivity attained here is mainly ascribed to the combined effects of: (1) homogenous incorporation of Al3+into the ZnO matrix, which enhances crystal quality providing higher electronic mobility; and (2) the RTA which releases the localized electrons caused by oxygen absorption and thereby increases the free carrier density. Under optimum deposition conditions, a low resistivity and a high optical transmittance around 4 × 10−3$Ømega$ cm and 87{%}, respectively, were obtained. The application of the RTA post-process after low temperature growth has several advantages relative to the direct growth at high temperature (usually 400–575 °C), such as shorter growth time and lower cost associated to the spray pyrolysis equipment requirements and usage. The results suggest that the electrical and optical properties of the ZnO:Al films can be further improved for solar cell applications by controlling the temperature of the post-deposition annealing in reducing atmosphere.

Aroso, I. M., A. Paiva, R. L. Reis, and A. R. C. Duarte. "{Natural deep eutectic solvents from choline chloride and betaine – Physicochemical properties}." Journal of Molecular Liquids. 241 (2017). Abstract

© 2017 Elsevier B.V. The preparation of natural deep eutectic solvents (NADESs) from cheap and readily available raw materials is reported. In this work, we have considered mixtures of choline chloride (CC) or betaine (Bet) with 3 sugar molecules (glucose (Glu), xylose (Xyl) and sucrose (Suc)) and 2 carboxylic acids (citric (CA) and tartaric (Tart) acids). The formation of NADESs was investigated by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). The CC mixtures give origin to NADESs for 1:1 M ratio with the sugar molecules and for 2:1, 1:1 and 1:2 with the carboxylic acids, while Bet mixtures only formed NADES with the carboxylic acids. The effect of water content (up to 5{%} (wt.{%})) and temperature in conductivity and rheology were characterized. The NADESs were found to be non-thixotropic, Newtonian liquids with high viscosity, decreasing with increasing temperature and water content. The conductivity is limited by charge carrier mobility, thus increasing with water content and temperature.

2016
Cardoso, Pedro, Pedro Amaro, Jose Paulo Santos, Joaquim T. de Assis, and Maria Luisa Carvalho. "Determination of Nickel and Manganese Contaminants in Pharmaceutical Iron Supplements using Energy Dispersive X-ray Fluorescence." Applied Spectroscopy (2016). AbstractWebsite

In this study, we investigate the capability of energy dispersive X-ray fluorescence (EDXF) spectrometry in a triaxial geometry apparatus as a fast and nondestructive determination method of both dominant and contaminant elements in pharmaceutical iron supplements. The following iron supplements brands with their respective active ingredients were analyzed: Neutrofer fólico (iron gylcinate), Anemifer (iron(II) sulfate monohydrate), Noripurum (iron(III)-hydroxide polymaltose complex), Sulferbel (iron(II) sulfate monohydrate), and Combiron Fólico (carbonyl iron). Although we observe a good agreement between the iron content obtained by the present method and that indicated in the supplement's prescribed dose, we observe contamination by manganese and nickel of up to 180 μg and 36 μg, respectively. These contents correspond to 7.2% and 14.4% of the permitted daily exposure of manganese and nickel, respectively, for an average adult individual as determined by the European Medicine Agency (EMEA). The method was successfully validated against the concentrations of several certified reference materials of biological light matrices with similar concentrations of contaminants. Moreover, we also validated our method by comparing the concentrations with those obtained with the inductively coupled plasma-atomic emission technique.

Almeida, Bernardo F., Isabel Correia, and Francisco Saldanha-da-Gama. "Priority-based heuristics for the multi-skill resource constrained project scheduling problem." Expert Systems with Applications. 57 (2016): 91-103. AbstractWebsite
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Lorenz, M., et al. "{The 2016 oxide electronic materials and oxide interfaces roadmap}." Journal of Physics D: Applied Physics. 49 (2016): 433001. AbstractWebsite

Oxide electronic materials provide a plethora of possible applications and offer ample opportunity for scientists to probe into some of the exciting and intriguing phenomena exhibited by oxide systems and oxide interfaces. In addition to the already diverse spectrum of properties, the nanoscale form of oxides provides a new dimension of hitherto unknown phenomena due to the increased surface-to-volume ratio. Oxide electronic materials are becoming increasingly important in a wide range of applications including transparent electronics, optoelectronics, magnetoelectronics, photonics, spintronics, thermoelectrics, piezoelectrics, power harvesting, hydrogen storage and environmental waste management. Synthesis and fabrication of these materials, as well as processing into particular device structures to suit a specific application is still a challenge. Further, characterization of these materials to understand the tunability of their properties and the novel properties that evolve due to their nanostructured nature is another facet of the challenge. The research related to the oxide electronic field is at an impressionable stage, and this has motivated us to contribute with a roadmap on 'oxide electronic materials and oxide interfaces'. This roadmap envisages the potential applications of oxide materials in cutting edge technologies and focuses on the necessary advances required to implement these materials, including both conventional and novel techniques for the synthesis, characterization, processing and fabrication of nanostructured oxides and oxide-based devices. The contents of this roadmap will highlight the functional and correlated properties of oxides in bulk, nano, thin film, multilayer and heterostructure forms, as well as the theoretical considerations behind both present and future applications in many technologically important areas as pointed out by Venkatesan. The contributions in this roadmap span several thematic groups which are represented by the following authors: novel field effect transistors and bipolar devices by Fortunato, Grundmann, Boschker, Rao, and Rogers; energy conversion and saving by Zaban, Weidenkaff, and Murakami; new opportunities of photonics by Fompeyrine, and Zuniga-Perez; multiferroic materials including novel phenomena by Ramesh, Spaldin, Mertig, Lorenz, Srinivasan, and Prellier; and concepts for topological oxide electronics by Kawasaki, Pentcheva, and Gegenwart. Finally, Miletto Granozio presents the European action 'towards oxide-based electronics' which develops an oxide electronics roadmap with emphasis on future nonvolatile memories and the required technologies. In summary, we do hope that this oxide roadmap appears as an interesting up-to-date snapshot on one of the most exciting and active areas of solid state physics, materials science, and chemistry, which even after many years of very successful development shows in short intervals novel insights and achievements.

Amaro, Pedro, Filippo Fratini, Laleh Safari, Jorge Machado, Mauro Guerra, Paul Indelicato, and Jose Paulo Santos. "Relativistic evaluation of the two-photon decay of the metastable 1s22s2p 3P0 state in berylliumlike ions with an effective-potential model." Physical Review A. 93 (2016): 032502-8. AbstractWebsite

The two-photon $1{s}^{2}2s2p\phantom{\rule{0.16em}{0ex}}{}^{3}{P}_{0}\ensuremath{\rightarrow}1{s}^{2}{s}^{2}\phantom{\rule{0.16em}{0ex}}{}^{1}{S}_{0}$ transition in berylliumlike ions is investigated theoretically within a fully relativistic framework and a second-order perturbation theory. We focus our analysis on how electron correlation, as well as the negative-energy spectrum, can affect the forbidden $E1M1$ decay rate. For this purpose, we include the electronic correlation via an effective local potential and within a single-configuration-state model. Due to its experimental interest, evaluations of decay rates are performed for berylliumlike xenon and uranium. We find that the negative-energy contribution can be neglected at the present level of accuracy in the evaluation of the decay rate. On the other hand, if contributions of electronic correlation are not carefully taken into account, it may change the lifetime of the metastable state by up to 20%. By performing a fully relativistic $jj$-coupling calculation, we find a decrease of the decay rate by two orders of magnitude compared to nonrelativistic $LS$-coupling calculations, for the selected heavy ions.

Carepo, M. S., C. Carreira, R. Grazina, M. E. Zakrzewska, A. Dolla, C. Aubert, S. R. Pauleta, J. J. Moura, and I. Moura. "Orange protein from Desulfovibrio alaskensis G20: insights into the Mo-Cu cluster protein-assisted synthesis." J Biol Inorg Chem. 21 (2016): 53-62. AbstractWebsite

A novel metalloprotein containing a unique [S2MoS2CuS2MoS2](3-) cluster, designated as Orange Protein (ORP), was isolated for the first time from Desulfovibrio gigas, a sulphate reducer. The orp operon is conserved in almost all sequenced Desulfovibrio genomes and in other anaerobic bacteria, however, so far D. gigas ORP had been the only ORP characterized in the literature. In this work, the purification of another ORP isolated form Desulfovibrio alaskensis G20 is reported. The native protein is monomeric (12443.8 +/- 0.1 Da by ESI-MS) and contains also a MoCu cluster with characteristic absorption bands at 337 and 480 nm, assigned to S-Mo charge transfer bands. Desulfovibrio alaskensis G20 recombinant protein was obtained in the apo-form from E. coli. Cluster reconstitution studies and UV-visible titrations with tetrathiomolybdate of the apo-ORP incubated with Cu ions indicate that the cluster is incorporated in a protein metal-assisted synthetic mode and the protein favors the 2Mo:1Cu stoichiometry. In Desulfovibrio alaskensis G20, the orp genes are encoded by a polycistronic unit composed of six genes whereas in Desulfovibrio vulgaris Hildenborough the same genes are organized into two divergent operons, although the composition in genes is similar. The gene expression of ORP (Dde_3198) increased 6.6 +/- 0.5 times when molybdate was added to the growth medium but was not affected by Cu(II) addition, suggesting an involvement in molybdenum metabolism directly or indirectly in these anaerobic bacteria.